2-chloroethyl-(phenylmethyl)-[(E)-3-phenylprop-2-enyl]azanium chloride

Systemtic Name: 2-chloroethyl-(phenylmethyl)-[(E)-3-phenylprop-2-enyl]azanium chloride Openeye Name: benzyl-(2-chloroethyl)-[(E)-cinnamyl]ammonium chloride CAS Name: 2-chloroethyl-(phenylmethyl)-[(E)-3-phenylprop-2-enyl]ammonium chloride IUPAC Name: benzyl-(2-chloroethyl)-[(E)-3-phenylprop-2-enyl]azanium chloride Traditional Name: benzyl-(2-chloroethyl)-[(E)-cinnamyl]ammonium chloride Formula: C18H21Cl2N MolecularWeight: 322.27204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CCCl)CC=CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CCCl)C/C=C/C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H20ClN.ClH/c19-13-15-20(16-18-10-5-2-6-11-18)14-7-12-17-8-3-1-4-9-17;/h1-12H,13-16H2;1H/b12-7+;